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Dissipative Cyclic Reaction Networks: Mechanistic Insights into a Minor Enantiomer Recycling Process
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.ORCID iD: 0000-0003-2897-4678
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Organic chemistry.
Centre for Analysis and Synthesis, Department of Chemistry, Lund University, P.O. Box 24, 221 00, Lund, Sweden.
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Theoretical Chemistry and Biology.ORCID iD: 0000-0002-1553-4027
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2024 (English)In: ChemSystemsChem, E-ISSN 2570-4206, Vol. 6, no 2, article id e202300045Article in journal (Refereed) Published
Abstract [en]

An analysis of an out-of-equilibrium cyclic reaction network which continuously converts a minor undesired product enantiomer to the desired major enantiomer by irreversible addition of chemical fuel and irreversible elimination of spent fuel is presented. The reaction network is maintained as long as fuel is added; interrupted fuel addition drives the system towards equilibrium, but the cyclic process restarts upon resumed fuel addition, as demonstrated by three consecutive fuel cycles. The process is powered by the hydrolysis of methyl cyanoformate to HCN and monomethyl carbonic acid, which decomposes to CO<inf>2</inf> and MeOH. The time it takes to reach steady state depends on the rate of conversion of the fuel and decreases with increased conversion rate. Three catalysts, one metal catalyst and two enzymes, together constitute an efficient regulation system allowing control of the forward, backward and waste-forming steps, thereby assuring the production of high yields of products with high enantiopurity.

Place, publisher, year, edition, pages
Wiley , 2024. Vol. 6, no 2, article id e202300045
Keywords [en]
catalysts, enantioselective, kinetic modeling, out-of-equilibrium systems, regulation
National Category
Organic Chemistry Energy Engineering
Identifiers
URN: urn:nbn:se:kth:diva-367063DOI: 10.1002/syst.202300045ISI: 001117911700001Scopus ID: 2-s2.0-85187624737OAI: oai:DiVA.org:kth-367063DiVA, id: diva2:1983991
Note

QC 20250714

Available from: 2025-07-14 Created: 2025-07-14 Last updated: 2025-08-22Bibliographically approved

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Margarita, CristianaNash, Anna LaurellAhlquist, Mårten S. G.Fransson, LindaMoberg, Christina

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